2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-ethylamino]ethanol

C16H23N3O — CID 648723

IUPAC2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1cn[nH]c1-c1ccc(C)c(C)c1
InChIInChI=1S/C16H23N3O/c1-4-19(7-8-20)11-15-10-17-18-16(15)14-6-5-12(2)13(3)9-14/h5-6,9-10,20H,4,7-8,11H2,1-3H3,(H,17,18)
InChIKeyWJBQAWXSXSYWGZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.51
Rot. Bonds6

About 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-ethylamino]ethanol

2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-ethylamino]ethanol (PubChem CID 648723) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-ethylamino]ethanol
PubChem CID648723
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1cn[nH]c1-c1ccc(C)c(C)c1
InChIInChI=1S/C16H23N3O/c1-4-19(7-8-20)11-15-10-17-18-16(15)14-6-5-12(2)13(3)9-14/h5-6,9-10,20H,4,7-8,11H2,1-3H3,(H,17,18)
InChIKeyWJBQAWXSXSYWGZ-UHFFFAOYSA-N
XLogP2.51
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-ethylamino]ethanol?
The IUPAC name of 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-ethylamino]ethanol (CID 648723) is 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-ethylamino]ethanol.
What is the SMILES notation for 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-ethylamino]ethanol?
The canonical SMILES for 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-ethylamino]ethanol is CCN(CCO)Cc1cn[nH]c1-c1ccc(C)c(C)c1.
What is the InChIKey of 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-ethylamino]ethanol?
The InChIKey is WJBQAWXSXSYWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-19(7-8-20)11-15-10-17-18-16(15)14-6-5-12(2)13(3)9-14/h5-6,9-10,20H,4,7-8,11H2,1-3H3,(H,17,18).
What are the key properties of 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-ethylamino]ethanol?
2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-ethylamino]ethanol has a molecular weight of 273.38 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-ethylamino]ethanol is sourced from PubChem (CID 648723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).